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Table 6 Prediction of summed monounsaturated fatty acids (MUFA) content in yeast biomass by FTIR spectroscopy, using partial least square regression (PLSR) analysis

From: Biochemical profiling, prediction of total lipid content and fatty acid profile in oleaginous yeasts by FTIR spectroscopy

Spectral region (cm−1) \({{\text{RMSE}}_{{{\text{CV}}}}} ^{{\text{a}}}\)
(N = 125)
RMSETest (N = 56) \({R^{2} {_{{{\text{CV}}}}}} ^{{\text{b}}}\)
(N = 125)
R 2 Test
(N = 56)
NFactorsc
3100–2800 4.99 4.34 0.79 0.79 11
3100–2800. 1800–700 8.85 15.42 0.37 0.29 10
3100–2800. 1800–1700 6.54 11.02 0.65 0.37 9
3100–2800. 1700–1715 5.30 4.14 0.76 0.77 12
3100–2800. 1800–1715 7.49 8.18 0.62 0.55 14
1800–1700 9.76 22.31 0.27 0.10 5
1800–700 9.62 15.11 0.27 0.02 5
  1. N is the number of samples in the dataset
  2. aRMSE—root mean squared error of cross-validation in calibration (RMSECV) and test set (RMSETest)
  3. bR2—coefficient of determination for cross-validation in calibration (R2CV) and test set (R2Test)
  4. cNFactors—number of factors used in PLSR models